N-(3-chloranyl-4-methyl-phenyl)-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-(3-chloro-4-methylphenyl)-1-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(3-chloro-4-methylphenyl)-1-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C27H29ClN5O+ MolecularWeight: 475.00506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CC[NH+](CC2)CC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CC[NH+](CC2)CC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5)Cl

InChI

InChI=1S/C27H28ClN5O/c1-20-9-10-23(17-25(20)28)30-26(34)21-11-15-31(16-12-21)19-22-18-29-33(24-7-3-2-4-8-24)27(22)32-13-5-6-14-32/h2-10,13-14,17-18,21H,11-12,15-16,19H2,1H3,(H,30,34)/p+1